USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= 1.19 K(o=1.8,f=-3.2!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.618 K(o=1.8,f=-0.94!) USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot -51:sc= 1.58 USER MOD Set 3.1: A 15 HIS : no HD1:sc= 0.0506 K(o=1.4,f=-6.4!) USER MOD Set 3.2: A 20 SER OG : rot 156:sc= 1.34 USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= -0.0106 (180deg=-0.18) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0806 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 90:sc= -0.0405 USER MOD Single : A 26 HIS : no HD1:sc= 0.0923 K(o=0.092,f=-0.5) USER MOD Single : A 27 HIS : no HD1:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 67:sc= 0.87 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.42) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -121:sc= 1.36 USER MOD Single : A 80 HIS : no HD1:sc= -0.889 X(o=-0.89,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 -0.451 -7.123 -11.164 1.00 0.00 N ATOM 66 CA LYS A 5 0.494 -8.117 -10.676 1.00 0.00 C ATOM 67 C LYS A 5 -0.062 -8.764 -9.410 1.00 0.00 C ATOM 68 O LYS A 5 0.533 -8.702 -8.342 1.00 0.00 O ATOM 69 CB LYS A 5 1.901 -7.512 -10.522 1.00 0.00 C ATOM 70 CG LYS A 5 2.886 -8.038 -11.569 1.00 0.00 C ATOM 71 CD LYS A 5 4.043 -7.044 -11.783 1.00 0.00 C ATOM 72 CE LYS A 5 5.349 -7.504 -11.129 1.00 0.00 C ATOM 73 NZ LYS A 5 5.888 -8.723 -11.765 1.00 0.00 N ATOM 0 HA LYS A 5 0.616 -8.918 -11.406 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.837 -6.427 -10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.282 -7.736 -9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.283 -9.001 -11.249 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.366 -8.205 -12.512 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.206 -6.908 -12.852 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.761 -6.073 -11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.088 -6.705 -11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.176 -7.694 -10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.892 -8.829 -11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.359 -9.553 -11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.793 -8.647 -12.798 1.00 0.00 H new ATOM 87 N TYR A 6 -1.241 -9.372 -9.559 1.00 0.00 N ATOM 88 CA TYR A 6 -1.906 -10.166 -8.538 1.00 0.00 C ATOM 89 C TYR A 6 -0.894 -10.878 -7.623 1.00 0.00 C ATOM 90 O TYR A 6 -0.160 -11.746 -8.092 1.00 0.00 O ATOM 91 CB TYR A 6 -2.825 -11.168 -9.242 1.00 0.00 C ATOM 92 CG TYR A 6 -4.155 -10.601 -9.710 1.00 0.00 C ATOM 93 CD1 TYR A 6 -5.236 -10.539 -8.813 1.00 0.00 C ATOM 94 CD2 TYR A 6 -4.341 -10.179 -11.038 1.00 0.00 C ATOM 95 CE1 TYR A 6 -6.521 -10.200 -9.262 1.00 0.00 C ATOM 96 CE2 TYR A 6 -5.608 -9.739 -11.463 1.00 0.00 C ATOM 97 CZ TYR A 6 -6.698 -9.755 -10.578 1.00 0.00 C ATOM 98 OH TYR A 6 -7.914 -9.290 -10.983 1.00 0.00 O ATOM 0 H TYR A 6 -1.773 -9.320 -10.427 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.493 -9.514 -7.891 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -2.298 -11.578 -10.104 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.020 -11.998 -8.563 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.075 -10.755 -7.767 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.513 -10.193 -11.731 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.368 -10.282 -8.597 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.743 -9.387 -12.475 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.864 -9.020 -11.924 1.00 0.00 H new ATOM 108 N TYR A 7 -0.844 -10.490 -6.345 1.00 0.00 N ATOM 109 CA TYR A 7 0.082 -10.995 -5.343 1.00 0.00 C ATOM 110 C TYR A 7 -0.673 -11.716 -4.235 1.00 0.00 C ATOM 111 O TYR A 7 -1.762 -11.307 -3.836 1.00 0.00 O ATOM 112 CB TYR A 7 0.882 -9.838 -4.733 1.00 0.00 C ATOM 113 CG TYR A 7 2.022 -9.333 -5.587 1.00 0.00 C ATOM 114 CD1 TYR A 7 2.967 -10.240 -6.103 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.237 -7.951 -5.731 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.048 -9.777 -6.864 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.401 -7.493 -6.366 1.00 0.00 C ATOM 118 CZ TYR A 7 4.289 -8.402 -6.961 1.00 0.00 C ATOM 119 OH TYR A 7 5.448 -7.965 -7.532 1.00 0.00 O ATOM 0 H TYR A 7 -1.478 -9.784 -5.971 1.00 0.00 H new ATOM 0 HA TYR A 7 0.762 -11.694 -5.829 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.202 -9.010 -4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.282 -10.159 -3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.858 -11.297 -5.911 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.510 -7.246 -5.355 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.692 -10.478 -7.374 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.615 -6.435 -6.397 1.00 0.00 H new ATOM 0 HH TYR A 7 5.467 -6.985 -7.526 1.00 0.00 H new ATOM 129 N THR A 8 -0.089 -12.805 -3.743 1.00 0.00 N ATOM 130 CA THR A 8 -0.668 -13.632 -2.706 1.00 0.00 C ATOM 131 C THR A 8 -0.483 -12.991 -1.335 1.00 0.00 C ATOM 132 O THR A 8 0.442 -12.200 -1.130 1.00 0.00 O ATOM 133 CB THR A 8 0.044 -14.987 -2.760 1.00 0.00 C ATOM 134 OG1 THR A 8 1.438 -14.760 -2.850 1.00 0.00 O ATOM 135 CG2 THR A 8 -0.380 -15.783 -3.996 1.00 0.00 C ATOM 0 H THR A 8 0.819 -13.138 -4.066 1.00 0.00 H new ATOM 0 HA THR A 8 -1.740 -13.748 -2.866 1.00 0.00 H new ATOM 0 HB THR A 8 -0.217 -15.550 -1.864 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.908 -15.619 -2.884 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.141 -16.740 -4.009 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.456 -15.956 -3.966 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.128 -15.221 -4.895 1.00 0.00 H new ATOM 143 N LEU A 9 -1.340 -13.389 -0.390 1.00 0.00 N ATOM 144 CA LEU A 9 -1.363 -12.850 0.954 1.00 0.00 C ATOM 145 C LEU A 9 0.021 -12.977 1.551 1.00 0.00 C ATOM 146 O LEU A 9 0.573 -11.976 1.975 1.00 0.00 O ATOM 147 CB LEU A 9 -2.389 -13.579 1.831 1.00 0.00 C ATOM 148 CG LEU A 9 -3.858 -13.235 1.559 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.195 -11.775 1.901 1.00 0.00 C ATOM 150 CD2 LEU A 9 -4.272 -13.612 0.136 1.00 0.00 C ATOM 0 H LEU A 9 -2.046 -14.108 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.658 -11.802 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.256 -14.653 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.170 -13.357 2.875 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.455 -13.846 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.247 -11.585 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.999 -11.594 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.578 -11.108 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.319 -13.353 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.654 -13.068 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.138 -14.684 -0.010 1.00 0.00 H new ATOM 162 N GLU A 10 0.588 -14.188 1.546 1.00 0.00 N ATOM 163 CA GLU A 10 1.915 -14.440 2.085 1.00 0.00 C ATOM 164 C GLU A 10 2.902 -13.351 1.662 1.00 0.00 C ATOM 165 O GLU A 10 3.467 -12.679 2.516 1.00 0.00 O ATOM 166 CB GLU A 10 2.419 -15.838 1.689 1.00 0.00 C ATOM 167 CG GLU A 10 2.812 -16.617 2.948 1.00 0.00 C ATOM 168 CD GLU A 10 3.631 -17.850 2.610 1.00 0.00 C ATOM 169 OE1 GLU A 10 3.093 -18.708 1.880 1.00 0.00 O ATOM 170 OE2 GLU A 10 4.784 -17.888 3.092 1.00 0.00 O ATOM 0 H GLU A 10 0.133 -15.018 1.166 1.00 0.00 H new ATOM 0 HA GLU A 10 1.842 -14.412 3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.642 -16.375 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.275 -15.751 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.385 -15.970 3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.913 -16.914 3.488 1.00 0.00 H new ATOM 177 N GLU A 11 3.080 -13.156 0.353 1.00 0.00 N ATOM 178 CA GLU A 11 3.989 -12.150 -0.179 1.00 0.00 C ATOM 179 C GLU A 11 3.648 -10.764 0.380 1.00 0.00 C ATOM 180 O GLU A 11 4.495 -10.084 0.963 1.00 0.00 O ATOM 181 CB GLU A 11 3.976 -12.197 -1.713 1.00 0.00 C ATOM 182 CG GLU A 11 5.126 -11.356 -2.292 1.00 0.00 C ATOM 183 CD GLU A 11 5.557 -11.829 -3.676 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.791 -13.049 -3.809 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.659 -10.963 -4.569 1.00 0.00 O ATOM 0 H GLU A 11 2.595 -13.694 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 11 5.008 -12.368 0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.068 -13.229 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.022 -11.823 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.816 -10.313 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.979 -11.399 -1.615 1.00 0.00 H new ATOM 192 N ILE A 12 2.380 -10.371 0.275 1.00 0.00 N ATOM 193 CA ILE A 12 1.905 -9.102 0.811 1.00 0.00 C ATOM 194 C ILE A 12 2.180 -8.985 2.322 1.00 0.00 C ATOM 195 O ILE A 12 2.447 -7.893 2.820 1.00 0.00 O ATOM 196 CB ILE A 12 0.426 -8.914 0.424 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.284 -8.885 -1.109 1.00 0.00 C ATOM 198 CG2 ILE A 12 -0.124 -7.608 1.009 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.143 -9.187 -1.559 1.00 0.00 C ATOM 0 H ILE A 12 1.656 -10.924 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 12 2.463 -8.278 0.368 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.143 -9.751 0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.581 -7.905 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.965 -9.614 -1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.170 -7.494 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.045 -7.634 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.451 -6.766 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.196 -9.156 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.432 -10.178 -1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.821 -8.443 -1.141 1.00 0.00 H new ATOM 211 N GLN A 13 2.170 -10.110 3.042 1.00 0.00 N ATOM 212 CA GLN A 13 2.444 -10.218 4.467 1.00 0.00 C ATOM 213 C GLN A 13 3.937 -10.448 4.746 1.00 0.00 C ATOM 214 O GLN A 13 4.322 -10.574 5.907 1.00 0.00 O ATOM 215 CB GLN A 13 1.617 -11.373 5.070 1.00 0.00 C ATOM 216 CG GLN A 13 0.732 -10.936 6.247 1.00 0.00 C ATOM 217 CD GLN A 13 -0.682 -10.542 5.815 1.00 0.00 C ATOM 218 OE1 GLN A 13 -0.927 -10.177 4.670 1.00 0.00 O ATOM 219 NE2 GLN A 13 -1.640 -10.654 6.730 1.00 0.00 N ATOM 0 H GLN A 13 1.959 -11.014 2.619 1.00 0.00 H new ATOM 0 HA GLN A 13 2.160 -9.274 4.933 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.988 -11.805 4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.294 -12.159 5.405 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.672 -11.749 6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.200 -10.092 6.753 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.409 -10.960 7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.606 -10.434 6.487 1.00 0.00 H new ATOM 228 N LYS A 14 4.785 -10.539 3.717 1.00 0.00 N ATOM 229 CA LYS A 14 6.230 -10.634 3.862 1.00 0.00 C ATOM 230 C LYS A 14 6.812 -9.219 3.840 1.00 0.00 C ATOM 231 O LYS A 14 7.703 -8.911 4.631 1.00 0.00 O ATOM 232 CB LYS A 14 6.844 -11.542 2.773 1.00 0.00 C ATOM 233 CG LYS A 14 7.381 -12.880 3.318 1.00 0.00 C ATOM 234 CD LYS A 14 6.314 -13.983 3.290 1.00 0.00 C ATOM 235 CE LYS A 14 6.680 -15.186 4.173 1.00 0.00 C ATOM 236 NZ LYS A 14 5.937 -15.165 5.448 1.00 0.00 N ATOM 0 H LYS A 14 4.475 -10.548 2.745 1.00 0.00 H new ATOM 0 HA LYS A 14 6.480 -11.102 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.090 -11.745 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.656 -11.007 2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.241 -13.193 2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.731 -12.740 4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.362 -13.570 3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.174 -14.321 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.462 -16.111 3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.751 -15.179 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.207 -15.990 6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.164 -14.293 5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.916 -15.197 5.255 1.00 0.00 H new ATOM 250 N HIS A 15 6.289 -8.336 2.983 1.00 0.00 N ATOM 251 CA HIS A 15 6.768 -6.961 2.879 1.00 0.00 C ATOM 252 C HIS A 15 6.186 -6.095 3.999 1.00 0.00 C ATOM 253 O HIS A 15 5.444 -5.137 3.763 1.00 0.00 O ATOM 254 CB HIS A 15 6.436 -6.406 1.498 1.00 0.00 C ATOM 255 CG HIS A 15 7.255 -7.027 0.398 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.499 -6.600 -0.004 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.887 -8.063 -0.417 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.870 -7.362 -1.046 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.925 -8.273 -1.328 1.00 0.00 N ATOM 0 H HIS A 15 5.524 -8.557 2.345 1.00 0.00 H new ATOM 0 HA HIS A 15 7.851 -6.947 2.999 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.378 -6.570 1.292 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.597 -5.328 1.498 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.962 -8.618 -0.365 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.801 -7.256 -1.583 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.958 -8.980 -2.063 1.00 0.00 H new ATOM 267 N LYS A 16 6.543 -6.452 5.234 1.00 0.00 N ATOM 268 CA LYS A 16 6.130 -5.754 6.440 1.00 0.00 C ATOM 269 C LYS A 16 7.325 -5.586 7.380 1.00 0.00 C ATOM 270 O LYS A 16 7.164 -5.575 8.601 1.00 0.00 O ATOM 271 CB LYS A 16 4.935 -6.493 7.070 1.00 0.00 C ATOM 272 CG LYS A 16 5.278 -7.895 7.608 1.00 0.00 C ATOM 273 CD LYS A 16 5.174 -7.972 9.140 1.00 0.00 C ATOM 274 CE LYS A 16 6.219 -8.932 9.724 1.00 0.00 C ATOM 275 NZ LYS A 16 6.286 -8.830 11.196 1.00 0.00 N ATOM 0 H LYS A 16 7.143 -7.256 5.422 1.00 0.00 H new ATOM 0 HA LYS A 16 5.787 -4.745 6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.537 -5.889 7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.144 -6.584 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.605 -8.628 7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.289 -8.163 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.312 -6.978 9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.175 -8.304 9.422 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.973 -9.955 9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.197 -8.709 9.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.002 -9.492 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.545 -7.859 11.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.359 -9.067 11.603 1.00 0.00 H new ATOM 334 N SER A 20 10.954 -2.647 3.311 1.00 0.00 N ATOM 335 CA SER A 20 9.914 -2.517 2.304 1.00 0.00 C ATOM 336 C SER A 20 8.557 -2.586 2.996 1.00 0.00 C ATOM 337 O SER A 20 8.215 -3.606 3.594 1.00 0.00 O ATOM 338 CB SER A 20 10.093 -3.563 1.190 1.00 0.00 C ATOM 339 OG SER A 20 9.998 -4.896 1.656 1.00 0.00 O ATOM 0 HA SER A 20 9.983 -1.551 1.803 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.337 -3.399 0.422 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.065 -3.419 0.718 1.00 0.00 H new ATOM 0 HG SER A 20 9.739 -5.484 0.916 1.00 0.00 H new ATOM 345 N THR A 21 7.825 -1.473 2.968 1.00 0.00 N ATOM 346 CA THR A 21 6.496 -1.341 3.509 1.00 0.00 C ATOM 347 C THR A 21 5.524 -1.373 2.335 1.00 0.00 C ATOM 348 O THR A 21 5.487 -0.448 1.520 1.00 0.00 O ATOM 349 CB THR A 21 6.445 -0.022 4.277 1.00 0.00 C ATOM 350 OG1 THR A 21 7.258 -0.162 5.424 1.00 0.00 O ATOM 351 CG2 THR A 21 5.026 0.378 4.683 1.00 0.00 C ATOM 0 H THR A 21 8.167 -0.609 2.547 1.00 0.00 H new ATOM 0 HA THR A 21 6.227 -2.144 4.196 1.00 0.00 H new ATOM 0 HB THR A 21 6.807 0.773 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.175 0.111 5.210 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.055 1.323 5.225 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.410 0.491 3.791 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.599 -0.394 5.323 1.00 0.00 H new ATOM 359 N TRP A 22 4.748 -2.451 2.261 1.00 0.00 N ATOM 360 CA TRP A 22 3.635 -2.572 1.338 1.00 0.00 C ATOM 361 C TRP A 22 2.347 -2.208 2.056 1.00 0.00 C ATOM 362 O TRP A 22 2.306 -2.207 3.282 1.00 0.00 O ATOM 363 CB TRP A 22 3.576 -4.005 0.840 1.00 0.00 C ATOM 364 CG TRP A 22 4.594 -4.353 -0.196 1.00 0.00 C ATOM 365 CD1 TRP A 22 5.750 -3.705 -0.469 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.515 -5.437 -1.155 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.372 -4.311 -1.537 1.00 0.00 N ATOM 368 CE2 TRP A 22 5.673 -5.413 -1.979 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.542 -6.412 -1.428 1.00 0.00 C ATOM 370 CZ2 TRP A 22 5.875 -6.344 -3.007 1.00 0.00 C ATOM 371 CZ3 TRP A 22 3.738 -7.369 -2.442 1.00 0.00 C ATOM 372 CH2 TRP A 22 4.913 -7.348 -3.216 1.00 0.00 C ATOM 0 H TRP A 22 4.880 -3.273 2.850 1.00 0.00 H new ATOM 0 HA TRP A 22 3.765 -1.898 0.491 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.701 -4.675 1.690 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.583 -4.191 0.430 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.126 -2.846 0.067 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.245 -3.984 -1.951 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.629 -6.428 -0.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 6.756 -6.291 -3.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.985 -8.121 -2.626 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.076 -8.103 -3.971 1.00 0.00 H new ATOM 383 N VAL A 23 1.294 -1.922 1.294 1.00 0.00 N ATOM 384 CA VAL A 23 -0.018 -1.582 1.819 1.00 0.00 C ATOM 385 C VAL A 23 -1.042 -1.854 0.720 1.00 0.00 C ATOM 386 O VAL A 23 -0.774 -1.561 -0.447 1.00 0.00 O ATOM 387 CB VAL A 23 -0.069 -0.110 2.278 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.359 0.086 3.737 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.780 0.819 1.407 1.00 0.00 C ATOM 0 H VAL A 23 1.334 -1.921 0.275 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.241 -2.189 2.697 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.121 0.156 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.300 1.143 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.302 -0.484 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.384 -0.262 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.702 1.840 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.821 0.498 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.422 0.781 0.378 1.00 0.00 H new ATOM 399 N ILE A 24 -2.193 -2.433 1.083 1.00 0.00 N ATOM 400 CA ILE A 24 -3.278 -2.680 0.148 1.00 0.00 C ATOM 401 C ILE A 24 -4.378 -1.637 0.362 1.00 0.00 C ATOM 402 O ILE A 24 -4.931 -1.509 1.458 1.00 0.00 O ATOM 403 CB ILE A 24 -3.754 -4.142 0.199 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.371 -4.542 1.539 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.590 -5.088 -0.104 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.861 -4.853 1.400 1.00 0.00 C ATOM 0 H ILE A 24 -2.390 -2.741 2.035 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.925 -2.556 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.535 -4.225 -0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.851 -5.415 1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.232 -3.736 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.940 -6.120 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.198 -4.875 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.802 -4.944 0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.266 -5.134 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.384 -3.971 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.997 -5.676 0.699 1.00 0.00 H new ATOM 418 N LEU A 25 -4.645 -0.834 -0.670 1.00 0.00 N ATOM 419 CA LEU A 25 -5.607 0.254 -0.613 1.00 0.00 C ATOM 420 C LEU A 25 -6.606 0.015 -1.738 1.00 0.00 C ATOM 421 O LEU A 25 -6.206 -0.056 -2.894 1.00 0.00 O ATOM 422 CB LEU A 25 -4.917 1.624 -0.697 1.00 0.00 C ATOM 423 CG LEU A 25 -3.591 1.701 0.081 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.931 3.048 -0.176 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.772 1.527 1.587 1.00 0.00 C ATOM 0 H LEU A 25 -4.190 -0.927 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.130 0.270 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.727 1.861 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.596 2.386 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.969 0.880 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.992 3.104 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.734 3.159 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.594 3.847 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.802 1.591 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.425 2.312 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.218 0.553 1.790 1.00 0.00 H new ATOM 437 N HIS A 26 -7.890 -0.171 -1.428 1.00 0.00 N ATOM 438 CA HIS A 26 -8.917 -0.406 -2.445 1.00 0.00 C ATOM 439 C HIS A 26 -8.595 -1.631 -3.303 1.00 0.00 C ATOM 440 O HIS A 26 -8.598 -1.560 -4.533 1.00 0.00 O ATOM 441 CB HIS A 26 -9.110 0.836 -3.329 1.00 0.00 C ATOM 442 CG HIS A 26 -9.465 2.063 -2.543 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.721 2.398 -2.095 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.599 3.049 -2.155 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.617 3.580 -1.466 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.349 4.023 -1.501 1.00 0.00 N ATOM 0 H HIS A 26 -8.246 -0.163 -0.472 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.851 -0.606 -1.920 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.194 1.022 -3.890 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.896 0.638 -4.058 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.533 3.068 -2.324 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.438 4.102 -0.997 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -9.002 4.904 -1.121 1.00 0.00 H new ATOM 454 N HIS A 27 -8.341 -2.768 -2.647 1.00 0.00 N ATOM 455 CA HIS A 27 -8.082 -4.035 -3.312 1.00 0.00 C ATOM 456 C HIS A 27 -6.934 -3.908 -4.325 1.00 0.00 C ATOM 457 O HIS A 27 -6.971 -4.545 -5.369 1.00 0.00 O ATOM 458 CB HIS A 27 -9.394 -4.561 -3.945 1.00 0.00 C ATOM 459 CG HIS A 27 -9.798 -5.931 -3.469 1.00 0.00 C ATOM 460 ND1 HIS A 27 -11.017 -6.276 -2.933 1.00 0.00 N ATOM 461 CD2 HIS A 27 -9.039 -7.066 -3.540 1.00 0.00 C ATOM 462 CE1 HIS A 27 -10.985 -7.595 -2.675 1.00 0.00 C ATOM 463 NE2 HIS A 27 -9.802 -8.121 -3.033 1.00 0.00 N ATOM 0 H HIS A 27 -8.311 -2.828 -1.629 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.749 -4.771 -2.580 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.198 -3.859 -3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.279 -4.584 -5.029 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.030 -7.135 -3.920 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.799 -8.155 -2.239 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.517 -9.097 -2.951 1.00 0.00 H new ATOM 471 N LYS A 28 -5.921 -3.087 -4.035 1.00 0.00 N ATOM 472 CA LYS A 28 -4.777 -2.840 -4.906 1.00 0.00 C ATOM 473 C LYS A 28 -3.549 -2.704 -4.017 1.00 0.00 C ATOM 474 O LYS A 28 -3.582 -1.949 -3.047 1.00 0.00 O ATOM 475 CB LYS A 28 -5.007 -1.561 -5.719 1.00 0.00 C ATOM 476 CG LYS A 28 -5.774 -1.848 -7.016 1.00 0.00 C ATOM 477 CD LYS A 28 -6.507 -0.589 -7.515 1.00 0.00 C ATOM 478 CE LYS A 28 -7.977 -0.896 -7.839 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.133 -1.540 -9.158 1.00 0.00 N ATOM 0 H LYS A 28 -5.876 -2.562 -3.161 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.639 -3.659 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.563 -0.842 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.047 -1.103 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.082 -2.198 -7.782 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.494 -2.649 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.454 0.191 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.009 -0.203 -8.404 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.389 -1.546 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.553 0.029 -7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.140 -1.729 -9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.764 -0.909 -9.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.605 -2.436 -9.171 1.00 0.00 H new ATOM 493 N VAL A 29 -2.500 -3.470 -4.323 1.00 0.00 N ATOM 494 CA VAL A 29 -1.284 -3.533 -3.536 1.00 0.00 C ATOM 495 C VAL A 29 -0.336 -2.468 -4.076 1.00 0.00 C ATOM 496 O VAL A 29 -0.011 -2.463 -5.268 1.00 0.00 O ATOM 497 CB VAL A 29 -0.660 -4.942 -3.574 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.418 -5.071 -2.484 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.690 -6.069 -3.412 1.00 0.00 C ATOM 0 H VAL A 29 -2.480 -4.074 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.498 -3.337 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.218 -5.055 -4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.853 -6.070 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.198 -4.329 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.032 -4.905 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.183 -7.033 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.199 -5.962 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.421 -6.013 -4.219 1.00 0.00 H new ATOM 509 N TYR A 30 0.073 -1.558 -3.194 1.00 0.00 N ATOM 510 CA TYR A 30 0.943 -0.447 -3.513 1.00 0.00 C ATOM 511 C TYR A 30 2.264 -0.643 -2.772 1.00 0.00 C ATOM 512 O TYR A 30 2.255 -0.856 -1.556 1.00 0.00 O ATOM 513 CB TYR A 30 0.224 0.851 -3.131 1.00 0.00 C ATOM 514 CG TYR A 30 -1.034 1.089 -3.949 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.908 1.403 -5.307 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.318 0.959 -3.394 1.00 0.00 C ATOM 517 CE1 TYR A 30 -2.044 1.564 -6.116 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.452 1.237 -4.182 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.316 1.536 -5.543 1.00 0.00 C ATOM 520 OH TYR A 30 -4.379 2.003 -6.258 1.00 0.00 O ATOM 0 H TYR A 30 -0.204 -1.581 -2.213 1.00 0.00 H new ATOM 0 HA TYR A 30 1.172 -0.392 -4.577 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.036 0.819 -2.073 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.905 1.692 -3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.075 1.523 -5.738 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.435 0.647 -2.367 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.934 1.709 -7.180 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.434 1.219 -3.733 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.196 1.916 -5.724 1.00 0.00 H new ATOM 530 N ASP A 31 3.386 -0.599 -3.500 1.00 0.00 N ATOM 531 CA ASP A 31 4.710 -0.634 -2.890 1.00 0.00 C ATOM 532 C ASP A 31 5.110 0.807 -2.621 1.00 0.00 C ATOM 533 O ASP A 31 5.184 1.605 -3.555 1.00 0.00 O ATOM 534 CB ASP A 31 5.749 -1.314 -3.792 1.00 0.00 C ATOM 535 CG ASP A 31 7.091 -1.458 -3.085 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.555 -0.452 -2.510 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.634 -2.582 -3.060 1.00 0.00 O ATOM 0 H ASP A 31 3.397 -0.539 -4.518 1.00 0.00 H new ATOM 0 HA ASP A 31 4.674 -1.220 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.386 -2.298 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.878 -0.732 -4.704 1.00 0.00 H new ATOM 542 N LEU A 32 5.341 1.147 -1.353 1.00 0.00 N ATOM 543 CA LEU A 32 5.740 2.492 -0.975 1.00 0.00 C ATOM 544 C LEU A 32 7.116 2.467 -0.316 1.00 0.00 C ATOM 545 O LEU A 32 7.463 3.366 0.447 1.00 0.00 O ATOM 546 CB LEU A 32 4.649 3.090 -0.085 1.00 0.00 C ATOM 547 CG LEU A 32 3.265 3.036 -0.760 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.217 3.442 0.263 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.091 3.891 -2.027 1.00 0.00 C ATOM 0 H LEU A 32 5.256 0.500 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 32 5.840 3.133 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.614 2.548 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.898 4.125 0.150 1.00 0.00 H new ATOM 0 HG LEU A 32 3.151 2.008 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.229 3.410 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.247 2.754 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.422 4.454 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.078 3.771 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.266 4.939 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.806 3.569 -2.784 1.00 0.00 H new ATOM 561 N THR A 33 7.934 1.475 -0.666 1.00 0.00 N ATOM 562 CA THR A 33 9.254 1.259 -0.100 1.00 0.00 C ATOM 563 C THR A 33 10.138 2.489 -0.291 1.00 0.00 C ATOM 564 O THR A 33 10.776 2.949 0.652 1.00 0.00 O ATOM 565 CB THR A 33 9.857 0.004 -0.740 1.00 0.00 C ATOM 566 OG1 THR A 33 9.015 -1.088 -0.438 1.00 0.00 O ATOM 567 CG2 THR A 33 11.276 -0.272 -0.248 1.00 0.00 C ATOM 0 H THR A 33 7.684 0.783 -1.372 1.00 0.00 H new ATOM 0 HA THR A 33 9.181 1.103 0.976 1.00 0.00 H new ATOM 0 HB THR A 33 9.926 0.157 -1.817 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.155 -0.974 -0.894 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.660 -1.171 -0.730 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.918 0.574 -0.494 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.265 -0.416 0.832 1.00 0.00 H new ATOM 575 N LYS A 34 10.157 3.041 -1.506 1.00 0.00 N ATOM 576 CA LYS A 34 10.887 4.263 -1.809 1.00 0.00 C ATOM 577 C LYS A 34 9.970 5.485 -1.765 1.00 0.00 C ATOM 578 O LYS A 34 10.304 6.518 -2.335 1.00 0.00 O ATOM 579 CB LYS A 34 11.560 4.121 -3.177 1.00 0.00 C ATOM 580 CG LYS A 34 12.693 3.087 -3.132 1.00 0.00 C ATOM 581 CD LYS A 34 13.994 3.646 -3.739 1.00 0.00 C ATOM 582 CE LYS A 34 14.734 2.567 -4.535 1.00 0.00 C ATOM 583 NZ LYS A 34 14.144 2.401 -5.881 1.00 0.00 N ATOM 0 H LYS A 34 9.663 2.648 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 34 11.653 4.417 -1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.821 3.822 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.957 5.086 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.872 2.787 -2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.392 2.192 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.763 4.489 -4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.638 4.023 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.786 2.835 -4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.692 1.620 -3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.664 1.664 -6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.146 2.122 -5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.207 3.300 -6.401 1.00 0.00 H new ATOM 597 N PHE A 35 8.822 5.377 -1.095 1.00 0.00 N ATOM 598 CA PHE A 35 7.892 6.483 -0.945 1.00 0.00 C ATOM 599 C PHE A 35 7.686 6.824 0.528 1.00 0.00 C ATOM 600 O PHE A 35 6.983 7.774 0.837 1.00 0.00 O ATOM 601 CB PHE A 35 6.592 6.132 -1.662 1.00 0.00 C ATOM 602 CG PHE A 35 5.534 7.215 -1.672 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.798 8.471 -2.245 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.290 6.975 -1.068 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.795 9.454 -2.280 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.286 7.949 -1.107 1.00 0.00 C ATOM 607 CZ PHE A 35 3.539 9.194 -1.704 1.00 0.00 C ATOM 0 H PHE A 35 8.516 4.516 -0.642 1.00 0.00 H new ATOM 0 HA PHE A 35 8.299 7.384 -1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.827 5.870 -2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.170 5.242 -1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.773 8.681 -2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.107 6.034 -0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.988 10.408 -2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.317 7.743 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.769 9.952 -1.721 1.00 0.00 H new ATOM 617 N LEU A 36 8.317 6.089 1.446 1.00 0.00 N ATOM 618 CA LEU A 36 8.160 6.317 2.868 1.00 0.00 C ATOM 619 C LEU A 36 8.455 7.782 3.217 1.00 0.00 C ATOM 620 O LEU A 36 7.587 8.485 3.723 1.00 0.00 O ATOM 621 CB LEU A 36 9.066 5.346 3.636 1.00 0.00 C ATOM 622 CG LEU A 36 8.555 3.894 3.725 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.434 3.089 4.697 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.082 3.812 4.156 1.00 0.00 C ATOM 0 H LEU A 36 8.949 5.322 1.216 1.00 0.00 H new ATOM 0 HA LEU A 36 7.128 6.127 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.047 5.339 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.204 5.727 4.648 1.00 0.00 H new ATOM 0 HG LEU A 36 8.620 3.467 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.068 2.064 4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.464 3.086 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.395 3.545 5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.774 2.767 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.964 4.269 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.461 4.341 3.433 1.00 0.00 H new ATOM 636 N GLU A 37 9.668 8.258 2.929 1.00 0.00 N ATOM 637 CA GLU A 37 10.020 9.649 3.189 1.00 0.00 C ATOM 638 C GLU A 37 9.339 10.589 2.189 1.00 0.00 C ATOM 639 O GLU A 37 8.790 11.614 2.584 1.00 0.00 O ATOM 640 CB GLU A 37 11.545 9.833 3.190 1.00 0.00 C ATOM 641 CG GLU A 37 12.053 10.092 4.615 1.00 0.00 C ATOM 642 CD GLU A 37 13.566 10.276 4.658 1.00 0.00 C ATOM 643 OE1 GLU A 37 14.104 10.809 3.663 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.155 9.880 5.685 1.00 0.00 O ATOM 0 H GLU A 37 10.417 7.701 2.518 1.00 0.00 H new ATOM 0 HA GLU A 37 9.653 9.913 4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.025 8.943 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.817 10.667 2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.568 10.982 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.771 9.258 5.258 1.00 0.00 H new ATOM 651 N GLU A 38 9.398 10.253 0.893 1.00 0.00 N ATOM 652 CA GLU A 38 8.834 11.090 -0.164 1.00 0.00 C ATOM 653 C GLU A 38 7.361 11.442 0.103 1.00 0.00 C ATOM 654 O GLU A 38 6.938 12.556 -0.198 1.00 0.00 O ATOM 655 CB GLU A 38 8.998 10.418 -1.540 1.00 0.00 C ATOM 656 CG GLU A 38 10.197 10.917 -2.370 1.00 0.00 C ATOM 657 CD GLU A 38 9.811 11.158 -3.830 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.834 11.908 -4.042 1.00 0.00 O ATOM 659 OE2 GLU A 38 10.494 10.586 -4.706 1.00 0.00 O ATOM 0 H GLU A 38 9.837 9.397 0.554 1.00 0.00 H new ATOM 0 HA GLU A 38 9.392 12.026 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.100 9.343 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.086 10.576 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.580 11.841 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.003 10.185 -2.322 1.00 0.00 H new ATOM 666 N HIS A 39 6.577 10.499 0.639 1.00 0.00 N ATOM 667 CA HIS A 39 5.172 10.694 0.976 1.00 0.00 C ATOM 668 C HIS A 39 4.957 12.012 1.726 1.00 0.00 C ATOM 669 O HIS A 39 5.409 12.132 2.869 1.00 0.00 O ATOM 670 CB HIS A 39 4.655 9.504 1.792 1.00 0.00 C ATOM 671 CG HIS A 39 3.254 9.648 2.343 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.926 9.593 3.673 1.00 0.00 N ATOM 673 CD2 HIS A 39 2.078 9.687 1.643 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.588 9.600 3.769 1.00 0.00 C ATOM 675 NE2 HIS A 39 1.016 9.637 2.556 1.00 0.00 N ATOM 0 H HIS A 39 6.914 9.560 0.853 1.00 0.00 H new ATOM 0 HA HIS A 39 4.602 10.752 0.049 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.689 8.614 1.164 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.338 9.333 2.624 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.583 9.554 4.452 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.985 9.746 0.569 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.043 9.579 4.701 1.00 0.00 H new ATOM 683 N PRO A 40 4.249 12.985 1.117 1.00 0.00 N ATOM 684 CA PRO A 40 3.985 14.277 1.722 1.00 0.00 C ATOM 685 C PRO A 40 2.990 14.091 2.867 1.00 0.00 C ATOM 686 O PRO A 40 1.796 14.345 2.734 1.00 0.00 O ATOM 687 CB PRO A 40 3.467 15.183 0.601 1.00 0.00 C ATOM 688 CG PRO A 40 2.937 14.227 -0.463 1.00 0.00 C ATOM 689 CD PRO A 40 3.630 12.892 -0.197 1.00 0.00 C ATOM 0 HA PRO A 40 4.870 14.738 2.160 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.682 15.848 0.961 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.262 15.814 0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.854 14.127 -0.395 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.161 14.592 -1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.912 12.073 -0.227 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.379 12.688 -0.962 1.00 0.00 H new ATOM 697 N GLY A 41 3.513 13.606 3.989 1.00 0.00 N ATOM 698 CA GLY A 41 2.755 13.231 5.162 1.00 0.00 C ATOM 699 C GLY A 41 3.664 12.530 6.166 1.00 0.00 C ATOM 700 O GLY A 41 3.506 12.724 7.369 1.00 0.00 O ATOM 0 H GLY A 41 4.516 13.461 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.311 14.116 5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.934 12.572 4.880 1.00 0.00 H new ATOM 704 N GLY A 42 4.621 11.719 5.690 1.00 0.00 N ATOM 705 CA GLY A 42 5.530 11.014 6.578 1.00 0.00 C ATOM 706 C GLY A 42 5.738 9.568 6.194 1.00 0.00 C ATOM 707 O GLY A 42 5.008 9.031 5.365 1.00 0.00 O ATOM 0 H GLY A 42 4.777 11.542 4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.493 11.524 6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.142 11.060 7.596 1.00 0.00 H new ATOM 711 N GLU A 43 6.679 8.926 6.884 1.00 0.00 N ATOM 712 CA GLU A 43 6.955 7.520 6.701 1.00 0.00 C ATOM 713 C GLU A 43 6.140 6.735 7.728 1.00 0.00 C ATOM 714 O GLU A 43 5.492 5.759 7.370 1.00 0.00 O ATOM 715 CB GLU A 43 8.467 7.284 6.894 1.00 0.00 C ATOM 716 CG GLU A 43 8.888 5.819 7.135 1.00 0.00 C ATOM 717 CD GLU A 43 8.937 5.413 8.605 1.00 0.00 C ATOM 718 OE1 GLU A 43 9.492 6.205 9.394 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.441 4.306 8.903 1.00 0.00 O ATOM 0 H GLU A 43 7.268 9.376 7.585 1.00 0.00 H new ATOM 0 HA GLU A 43 6.678 7.188 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.990 7.653 6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.805 7.884 7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.192 5.163 6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.871 5.658 6.693 1.00 0.00 H new ATOM 726 N GLU A 44 6.152 7.157 9.001 1.00 0.00 N ATOM 727 CA GLU A 44 5.567 6.367 10.081 1.00 0.00 C ATOM 728 C GLU A 44 4.082 6.126 9.840 1.00 0.00 C ATOM 729 O GLU A 44 3.621 4.996 9.938 1.00 0.00 O ATOM 730 CB GLU A 44 5.773 7.018 11.456 1.00 0.00 C ATOM 731 CG GLU A 44 6.032 5.935 12.519 1.00 0.00 C ATOM 732 CD GLU A 44 5.397 6.262 13.862 1.00 0.00 C ATOM 733 OE1 GLU A 44 5.624 7.395 14.338 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.698 5.371 14.389 1.00 0.00 O ATOM 0 H GLU A 44 6.562 8.041 9.302 1.00 0.00 H new ATOM 0 HA GLU A 44 6.089 5.410 10.083 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.615 7.710 11.417 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.893 7.601 11.727 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.644 4.981 12.161 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.107 5.812 12.651 1.00 0.00 H new ATOM 741 N VAL A 45 3.338 7.174 9.468 1.00 0.00 N ATOM 742 CA VAL A 45 1.954 7.027 9.057 1.00 0.00 C ATOM 743 C VAL A 45 1.852 5.928 7.998 1.00 0.00 C ATOM 744 O VAL A 45 0.934 5.116 8.035 1.00 0.00 O ATOM 745 CB VAL A 45 1.380 8.375 8.583 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.611 9.488 9.615 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.919 8.840 7.224 1.00 0.00 C ATOM 0 H VAL A 45 3.682 8.134 9.446 1.00 0.00 H new ATOM 0 HA VAL A 45 1.344 6.721 9.907 1.00 0.00 H new ATOM 0 HB VAL A 45 0.312 8.189 8.468 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.191 10.422 9.242 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.125 9.221 10.553 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.681 9.612 9.783 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.467 9.796 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.001 8.954 7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.672 8.100 6.462 1.00 0.00 H new ATOM 757 N LEU A 46 2.827 5.850 7.088 1.00 0.00 N ATOM 758 CA LEU A 46 2.880 4.777 6.118 1.00 0.00 C ATOM 759 C LEU A 46 3.221 3.420 6.705 1.00 0.00 C ATOM 760 O LEU A 46 2.649 2.402 6.312 1.00 0.00 O ATOM 761 CB LEU A 46 3.661 5.149 4.852 1.00 0.00 C ATOM 762 CG LEU A 46 2.731 5.754 3.789 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.555 6.149 2.561 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.643 4.759 3.365 1.00 0.00 C ATOM 0 H LEU A 46 3.588 6.525 7.011 1.00 0.00 H new ATOM 0 HA LEU A 46 1.853 4.645 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.447 5.862 5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.151 4.263 4.449 1.00 0.00 H new ATOM 0 HG LEU A 46 2.246 6.629 4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.898 6.579 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.307 6.884 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.048 5.266 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.003 5.219 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.109 3.866 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.043 4.484 4.233 1.00 0.00 H new ATOM 776 N ARG A 47 4.121 3.409 7.676 1.00 0.00 N ATOM 777 CA ARG A 47 4.595 2.214 8.328 1.00 0.00 C ATOM 778 C ARG A 47 3.806 1.907 9.600 1.00 0.00 C ATOM 779 O ARG A 47 4.288 1.131 10.423 1.00 0.00 O ATOM 780 CB ARG A 47 6.103 2.389 8.567 1.00 0.00 C ATOM 781 CG ARG A 47 6.919 1.143 8.209 1.00 0.00 C ATOM 782 CD ARG A 47 7.491 0.411 9.429 1.00 0.00 C ATOM 783 NE ARG A 47 7.440 -1.052 9.243 1.00 0.00 N ATOM 784 CZ ARG A 47 6.331 -1.801 9.391 1.00 0.00 C ATOM 785 NH1 ARG A 47 5.170 -1.253 9.752 1.00 0.00 N ATOM 786 NH2 ARG A 47 6.367 -3.117 9.178 1.00 0.00 N ATOM 0 H ARG A 47 4.550 4.261 8.038 1.00 0.00 H new ATOM 0 HA ARG A 47 4.435 1.340 7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.462 3.233 7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.272 2.637 9.615 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.288 0.455 7.646 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.739 1.433 7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.522 0.724 9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.927 0.687 10.320 1.00 0.00 H new ATOM 0 HE ARG A 47 8.304 -1.528 8.985 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.111 -0.249 9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.341 -1.838 9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.240 -3.565 8.900 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.521 -3.676 9.293 1.00 0.00 H new ATOM 800 N GLU A 48 2.590 2.444 9.742 1.00 0.00 N ATOM 801 CA GLU A 48 1.744 2.191 10.892 1.00 0.00 C ATOM 802 C GLU A 48 1.255 0.753 10.837 1.00 0.00 C ATOM 803 O GLU A 48 1.512 -0.062 11.720 1.00 0.00 O ATOM 804 CB GLU A 48 0.573 3.197 10.905 1.00 0.00 C ATOM 805 CG GLU A 48 0.726 4.256 12.004 1.00 0.00 C ATOM 806 CD GLU A 48 0.374 3.711 13.388 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.483 2.480 13.567 1.00 0.00 O ATOM 808 OE2 GLU A 48 -0.052 4.534 14.226 1.00 0.00 O ATOM 0 H GLU A 48 2.171 3.069 9.053 1.00 0.00 H new ATOM 0 HA GLU A 48 2.304 2.326 11.817 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.510 3.690 9.935 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.364 2.659 11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.752 4.624 12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.084 5.107 11.777 1.00 0.00 H new ATOM 815 N GLN A 49 0.577 0.438 9.738 1.00 0.00 N ATOM 816 CA GLN A 49 0.033 -0.885 9.520 1.00 0.00 C ATOM 817 C GLN A 49 1.100 -1.679 8.778 1.00 0.00 C ATOM 818 O GLN A 49 1.828 -2.490 9.354 1.00 0.00 O ATOM 819 CB GLN A 49 -1.288 -0.740 8.743 1.00 0.00 C ATOM 820 CG GLN A 49 -2.423 -0.309 9.685 1.00 0.00 C ATOM 821 CD GLN A 49 -2.909 -1.497 10.499 1.00 0.00 C ATOM 822 OE1 GLN A 49 -3.214 -2.535 9.925 1.00 0.00 O ATOM 823 NE2 GLN A 49 -2.950 -1.372 11.820 1.00 0.00 N ATOM 0 H GLN A 49 0.393 1.095 8.980 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.206 -1.418 10.440 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.169 -0.005 7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.542 -1.687 8.267 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.073 0.479 10.352 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.248 0.106 9.106 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.687 -0.489 12.257 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.244 -2.159 12.398 1.00 0.00 H new ATOM 832 N ALA A 50 1.234 -1.358 7.493 1.00 0.00 N ATOM 833 CA ALA A 50 2.014 -2.104 6.516 1.00 0.00 C ATOM 834 C ALA A 50 1.482 -3.536 6.314 1.00 0.00 C ATOM 835 O ALA A 50 0.853 -4.103 7.202 1.00 0.00 O ATOM 836 CB ALA A 50 3.492 -2.081 6.906 1.00 0.00 C ATOM 0 H ALA A 50 0.782 -0.537 7.091 1.00 0.00 H new ATOM 0 HA ALA A 50 1.910 -1.615 5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.071 -2.641 6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.844 -1.050 6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.616 -2.536 7.889 1.00 0.00 H new ATOM 842 N GLY A 51 1.736 -4.123 5.139 1.00 0.00 N ATOM 843 CA GLY A 51 1.354 -5.482 4.755 1.00 0.00 C ATOM 844 C GLY A 51 -0.041 -5.876 5.251 1.00 0.00 C ATOM 845 O GLY A 51 -0.195 -6.903 5.909 1.00 0.00 O ATOM 0 H GLY A 51 2.238 -3.638 4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.385 -5.569 3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.086 -6.185 5.152 1.00 0.00 H new ATOM 849 N GLY A 52 -1.052 -5.056 4.947 1.00 0.00 N ATOM 850 CA GLY A 52 -2.390 -5.197 5.481 1.00 0.00 C ATOM 851 C GLY A 52 -3.277 -4.115 4.874 1.00 0.00 C ATOM 852 O GLY A 52 -2.791 -3.266 4.117 1.00 0.00 O ATOM 0 H GLY A 52 -0.951 -4.265 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.787 -6.185 5.249 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.374 -5.107 6.567 1.00 0.00 H new ATOM 856 N ASP A 53 -4.569 -4.166 5.214 1.00 0.00 N ATOM 857 CA ASP A 53 -5.551 -3.153 4.857 1.00 0.00 C ATOM 858 C ASP A 53 -5.210 -1.870 5.600 1.00 0.00 C ATOM 859 O ASP A 53 -5.503 -1.708 6.780 1.00 0.00 O ATOM 860 CB ASP A 53 -6.983 -3.620 5.153 1.00 0.00 C ATOM 861 CG ASP A 53 -8.027 -2.588 4.710 1.00 0.00 C ATOM 862 OD1 ASP A 53 -7.983 -1.431 5.196 1.00 0.00 O ATOM 863 OD2 ASP A 53 -8.840 -2.965 3.841 1.00 0.00 O ATOM 0 H ASP A 53 -4.964 -4.933 5.758 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.512 -2.971 3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.169 -4.565 4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.090 -3.808 6.221 1.00 0.00 H new ATOM 868 N ALA A 54 -4.560 -0.963 4.876 1.00 0.00 N ATOM 869 CA ALA A 54 -4.416 0.417 5.289 1.00 0.00 C ATOM 870 C ALA A 54 -5.553 1.263 4.706 1.00 0.00 C ATOM 871 O ALA A 54 -5.604 2.464 4.968 1.00 0.00 O ATOM 872 CB ALA A 54 -3.035 0.917 4.861 1.00 0.00 C ATOM 0 H ALA A 54 -4.118 -1.173 3.981 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.486 0.502 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.914 1.956 5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.265 0.308 5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.941 0.844 3.777 1.00 0.00 H new ATOM 878 N THR A 55 -6.456 0.660 3.921 1.00 0.00 N ATOM 879 CA THR A 55 -7.607 1.327 3.335 1.00 0.00 C ATOM 880 C THR A 55 -8.361 2.123 4.403 1.00 0.00 C ATOM 881 O THR A 55 -8.560 3.316 4.205 1.00 0.00 O ATOM 882 CB THR A 55 -8.512 0.330 2.583 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.758 -0.552 1.769 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.424 1.069 1.602 1.00 0.00 C ATOM 0 H THR A 55 -6.397 -0.328 3.675 1.00 0.00 H new ATOM 0 HA THR A 55 -7.257 2.040 2.588 1.00 0.00 H new ATOM 0 HB THR A 55 -9.065 -0.207 3.354 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.363 -1.170 1.309 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.056 0.350 1.080 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.051 1.773 2.148 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.816 1.611 0.878 1.00 0.00 H new ATOM 892 N GLU A 56 -8.702 1.505 5.544 1.00 0.00 N ATOM 893 CA GLU A 56 -9.319 2.209 6.678 1.00 0.00 C ATOM 894 C GLU A 56 -8.631 3.560 6.949 1.00 0.00 C ATOM 895 O GLU A 56 -9.293 4.582 7.084 1.00 0.00 O ATOM 896 CB GLU A 56 -9.325 1.307 7.934 1.00 0.00 C ATOM 897 CG GLU A 56 -10.736 1.039 8.491 1.00 0.00 C ATOM 898 CD GLU A 56 -11.236 2.148 9.409 1.00 0.00 C ATOM 899 OE1 GLU A 56 -10.665 2.258 10.517 1.00 0.00 O ATOM 900 OE2 GLU A 56 -12.193 2.838 9.002 1.00 0.00 O ATOM 0 H GLU A 56 -8.559 0.508 5.706 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.354 2.431 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.852 0.355 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.719 1.774 8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.432 0.922 7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.731 0.097 9.039 1.00 0.00 H new ATOM 907 N ASN A 57 -7.296 3.585 6.975 1.00 0.00 N ATOM 908 CA ASN A 57 -6.512 4.775 7.300 1.00 0.00 C ATOM 909 C ASN A 57 -6.491 5.759 6.126 1.00 0.00 C ATOM 910 O ASN A 57 -6.763 6.952 6.264 1.00 0.00 O ATOM 911 CB ASN A 57 -5.091 4.330 7.666 1.00 0.00 C ATOM 912 CG ASN A 57 -4.432 5.267 8.671 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.567 6.483 8.592 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.693 4.701 9.623 1.00 0.00 N ATOM 0 H ASN A 57 -6.723 2.767 6.768 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.966 5.295 8.144 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.124 3.322 8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.483 4.284 6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.219 5.283 10.314 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.601 3.686 9.661 1.00 0.00 H new ATOM 921 N PHE A 58 -6.176 5.238 4.937 1.00 0.00 N ATOM 922 CA PHE A 58 -6.175 5.998 3.694 1.00 0.00 C ATOM 923 C PHE A 58 -7.508 6.743 3.519 1.00 0.00 C ATOM 924 O PHE A 58 -7.508 7.907 3.112 1.00 0.00 O ATOM 925 CB PHE A 58 -5.874 5.043 2.531 1.00 0.00 C ATOM 926 CG PHE A 58 -5.789 5.695 1.164 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.579 6.255 0.712 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.926 5.739 0.338 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.493 6.820 -0.573 1.00 0.00 C ATOM 930 CE2 PHE A 58 -6.853 6.342 -0.927 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.634 6.868 -1.394 1.00 0.00 C ATOM 0 H PHE A 58 -5.911 4.261 4.814 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.397 6.761 3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.930 4.536 2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.648 4.276 2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.712 6.251 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.856 5.308 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.553 7.216 -0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.736 6.403 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.575 7.307 -2.379 1.00 0.00 H new ATOM 941 N GLU A 59 -8.613 6.069 3.867 1.00 0.00 N ATOM 942 CA GLU A 59 -9.987 6.545 3.779 1.00 0.00 C ATOM 943 C GLU A 59 -10.379 7.403 4.981 1.00 0.00 C ATOM 944 O GLU A 59 -11.142 8.350 4.807 1.00 0.00 O ATOM 945 CB GLU A 59 -10.951 5.356 3.661 1.00 0.00 C ATOM 946 CG GLU A 59 -10.902 4.697 2.276 1.00 0.00 C ATOM 947 CD GLU A 59 -11.587 5.554 1.218 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.823 5.421 1.098 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.863 6.296 0.522 1.00 0.00 O ATOM 0 H GLU A 59 -8.561 5.121 4.239 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.055 7.169 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.704 4.615 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.967 5.694 3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.864 4.528 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.384 3.720 2.321 1.00 0.00 H new ATOM 956 N ASP A 60 -9.863 7.112 6.182 1.00 0.00 N ATOM 957 CA ASP A 60 -10.042 7.970 7.352 1.00 0.00 C ATOM 958 C ASP A 60 -9.691 9.407 6.971 1.00 0.00 C ATOM 959 O ASP A 60 -10.463 10.338 7.195 1.00 0.00 O ATOM 960 CB ASP A 60 -9.161 7.490 8.512 1.00 0.00 C ATOM 961 CG ASP A 60 -9.343 8.357 9.752 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.509 8.529 10.166 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.309 8.832 10.271 1.00 0.00 O ATOM 0 H ASP A 60 -9.310 6.275 6.366 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.080 7.924 7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.406 6.455 8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.115 7.507 8.206 1.00 0.00 H new ATOM 968 N VAL A 61 -8.533 9.565 6.321 1.00 0.00 N ATOM 969 CA VAL A 61 -8.115 10.845 5.765 1.00 0.00 C ATOM 970 C VAL A 61 -8.761 11.131 4.407 1.00 0.00 C ATOM 971 O VAL A 61 -8.859 12.289 4.001 1.00 0.00 O ATOM 972 CB VAL A 61 -6.583 10.972 5.785 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.126 12.299 5.160 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.077 10.931 7.235 1.00 0.00 C ATOM 0 H VAL A 61 -7.865 8.809 6.169 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.491 11.641 6.408 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.176 10.141 5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.038 12.359 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.465 12.350 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.550 13.131 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.991 11.021 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.514 11.757 7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.366 9.986 7.695 1.00 0.00 H new ATOM 984 N GLY A 62 -9.185 10.109 3.668 1.00 0.00 N ATOM 985 CA GLY A 62 -9.860 10.281 2.390 1.00 0.00 C ATOM 986 C GLY A 62 -8.832 10.456 1.276 1.00 0.00 C ATOM 987 O GLY A 62 -8.928 9.805 0.240 1.00 0.00 O ATOM 0 H GLY A 62 -9.068 9.134 3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.489 9.416 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.516 11.150 2.430 1.00 0.00 H new ATOM 991 N HIS A 63 -7.857 11.344 1.506 1.00 0.00 N ATOM 992 CA HIS A 63 -6.862 11.789 0.539 1.00 0.00 C ATOM 993 C HIS A 63 -7.519 12.561 -0.614 1.00 0.00 C ATOM 994 O HIS A 63 -8.729 12.514 -0.827 1.00 0.00 O ATOM 995 CB HIS A 63 -5.988 10.628 0.020 1.00 0.00 C ATOM 996 CG HIS A 63 -4.927 10.145 0.979 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.107 9.297 2.049 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.583 10.378 0.853 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.884 9.051 2.560 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -2.913 9.675 1.858 1.00 0.00 N ATOM 0 H HIS A 63 -7.740 11.789 2.416 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.192 12.472 1.061 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.637 9.789 -0.231 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.504 10.944 -0.904 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -5.994 8.927 2.389 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.119 11.001 0.103 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.703 8.431 3.425 1.00 0.00 H new ATOM 1008 N SER A 64 -6.699 13.302 -1.362 1.00 0.00 N ATOM 1009 CA SER A 64 -7.109 13.965 -2.591 1.00 0.00 C ATOM 1010 C SER A 64 -7.032 12.998 -3.780 1.00 0.00 C ATOM 1011 O SER A 64 -6.522 11.883 -3.663 1.00 0.00 O ATOM 1012 CB SER A 64 -6.203 15.178 -2.820 1.00 0.00 C ATOM 1013 OG SER A 64 -6.226 16.016 -1.682 1.00 0.00 O ATOM 0 H SER A 64 -5.719 13.457 -1.124 1.00 0.00 H new ATOM 0 HA SER A 64 -8.144 14.294 -2.501 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.183 14.849 -3.020 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.537 15.732 -3.697 1.00 0.00 H new ATOM 0 HG SER A 64 -5.643 16.789 -1.833 1.00 0.00 H new ATOM 1019 N THR A 65 -7.506 13.440 -4.948 1.00 0.00 N ATOM 1020 CA THR A 65 -7.521 12.609 -6.146 1.00 0.00 C ATOM 1021 C THR A 65 -6.104 12.384 -6.685 1.00 0.00 C ATOM 1022 O THR A 65 -5.780 11.277 -7.115 1.00 0.00 O ATOM 1023 CB THR A 65 -8.491 13.179 -7.195 1.00 0.00 C ATOM 1024 OG1 THR A 65 -8.987 12.131 -8.001 1.00 0.00 O ATOM 1025 CG2 THR A 65 -7.868 14.254 -8.093 1.00 0.00 C ATOM 0 H THR A 65 -7.886 14.376 -5.085 1.00 0.00 H new ATOM 0 HA THR A 65 -7.900 11.621 -5.882 1.00 0.00 H new ATOM 0 HB THR A 65 -9.295 13.661 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.606 12.496 -8.667 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.612 14.608 -8.807 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.528 15.088 -7.479 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.020 13.831 -8.632 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.253 13.415 -6.642 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.855 13.328 -7.047 1.00 0.00 C ATOM 1035 C ASP A 66 -3.211 12.089 -6.437 1.00 0.00 C ATOM 1036 O ASP A 66 -2.561 11.309 -7.123 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.108 14.586 -6.588 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.435 15.773 -7.478 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -4.620 16.172 -7.437 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -2.503 16.247 -8.161 1.00 0.00 O ATOM 0 H ASP A 66 -5.525 14.344 -6.320 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.801 13.254 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.377 14.816 -5.557 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.034 14.401 -6.604 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.438 11.887 -5.138 1.00 0.00 N ATOM 1046 CA ALA A 67 -2.981 10.712 -4.417 1.00 0.00 C ATOM 1047 C ALA A 67 -3.465 9.414 -5.067 1.00 0.00 C ATOM 1048 O ALA A 67 -2.678 8.486 -5.207 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.402 10.793 -2.945 1.00 0.00 C ATOM 0 H ALA A 67 -3.952 12.548 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.892 10.696 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.053 9.906 -2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.965 11.682 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.489 10.849 -2.880 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.739 9.319 -5.463 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.260 8.143 -6.160 1.00 0.00 C ATOM 1057 C ARG A 68 -4.494 7.909 -7.461 1.00 0.00 C ATOM 1058 O ARG A 68 -4.106 6.778 -7.756 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.766 8.282 -6.437 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.569 8.165 -5.139 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.039 6.722 -4.897 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.406 6.517 -5.406 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.051 5.340 -5.448 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -9.407 4.215 -5.117 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.332 5.293 -5.831 1.00 0.00 N ATOM 0 H ARG A 68 -5.432 10.051 -5.310 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.118 7.278 -5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.967 9.244 -6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.084 7.510 -7.138 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.957 8.495 -4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.433 8.828 -5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.357 6.027 -5.387 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.008 6.500 -3.830 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.903 7.336 -5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.428 4.252 -4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.895 3.320 -5.148 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.818 6.151 -6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.822 4.399 -5.863 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.273 8.966 -8.244 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.484 8.831 -9.459 1.00 0.00 C ATOM 1081 C GLU A 69 -2.043 8.406 -9.144 1.00 0.00 C ATOM 1082 O GLU A 69 -1.478 7.547 -9.815 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.526 10.120 -10.290 1.00 0.00 C ATOM 1084 CG GLU A 69 -4.717 10.106 -11.257 1.00 0.00 C ATOM 1085 CD GLU A 69 -4.611 11.227 -12.282 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.258 12.347 -11.863 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -4.878 10.927 -13.465 1.00 0.00 O ATOM 0 H GLU A 69 -4.624 9.906 -8.060 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.930 8.039 -10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.599 10.983 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.598 10.227 -10.851 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.761 9.145 -11.769 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.645 10.210 -10.695 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.439 8.986 -8.110 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.067 8.680 -7.744 1.00 0.00 C ATOM 1096 C LEU A 70 0.046 7.230 -7.272 1.00 0.00 C ATOM 1097 O LEU A 70 0.975 6.517 -7.640 1.00 0.00 O ATOM 1098 CB LEU A 70 0.416 9.670 -6.676 1.00 0.00 C ATOM 1099 CG LEU A 70 1.942 9.810 -6.710 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.392 10.679 -7.894 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.427 10.454 -5.407 1.00 0.00 C ATOM 0 H LEU A 70 -1.887 9.677 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 70 0.577 8.787 -8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.046 10.643 -6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.100 9.330 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 70 2.372 8.815 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.479 10.761 -7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.064 10.221 -8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.953 11.673 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.512 10.553 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.975 11.440 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.139 9.828 -4.563 1.00 0.00 H new ATOM 1113 N SER A 71 -0.939 6.786 -6.491 1.00 0.00 N ATOM 1114 CA SER A 71 -1.102 5.413 -6.048 1.00 0.00 C ATOM 1115 C SER A 71 -0.872 4.467 -7.227 1.00 0.00 C ATOM 1116 O SER A 71 -0.063 3.555 -7.139 1.00 0.00 O ATOM 1117 CB SER A 71 -2.491 5.255 -5.412 1.00 0.00 C ATOM 1118 OG SER A 71 -2.566 4.098 -4.618 1.00 0.00 O ATOM 0 H SER A 71 -1.671 7.403 -6.139 1.00 0.00 H new ATOM 0 HA SER A 71 -0.365 5.156 -5.287 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.715 6.131 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.248 5.210 -6.195 1.00 0.00 H new ATOM 0 HG SER A 71 -2.249 3.327 -5.133 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.508 4.721 -8.373 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.302 3.927 -9.575 1.00 0.00 C ATOM 1126 C LYS A 72 0.177 3.786 -9.952 1.00 0.00 C ATOM 1127 O LYS A 72 0.636 2.682 -10.222 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.138 4.510 -10.711 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.408 3.680 -10.920 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.426 4.484 -11.741 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.858 4.175 -11.287 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.805 5.195 -11.782 1.00 0.00 N ATOM 0 H LYS A 72 -2.177 5.482 -8.488 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.638 2.909 -9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.404 5.542 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.552 4.528 -11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.165 2.750 -11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.838 3.408 -9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.227 5.550 -11.632 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.316 4.246 -12.799 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.154 3.192 -11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.897 4.136 -10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.766 4.962 -11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.534 6.129 -11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.783 5.214 -12.822 1.00 0.00 H new ATOM 1146 N THR A 73 0.949 4.872 -9.927 1.00 0.00 N ATOM 1147 CA THR A 73 2.392 4.812 -10.152 1.00 0.00 C ATOM 1148 C THR A 73 3.107 3.893 -9.142 1.00 0.00 C ATOM 1149 O THR A 73 4.180 3.374 -9.443 1.00 0.00 O ATOM 1150 CB THR A 73 2.948 6.248 -10.197 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.750 6.776 -11.492 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.427 6.363 -9.832 1.00 0.00 C ATOM 0 H THR A 73 0.594 5.812 -9.751 1.00 0.00 H new ATOM 0 HA THR A 73 2.593 4.346 -11.117 1.00 0.00 H new ATOM 0 HB THR A 73 2.403 6.812 -9.440 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.100 7.691 -11.529 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.736 7.407 -9.889 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.581 5.994 -8.818 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.021 5.770 -10.528 1.00 0.00 H new ATOM 1160 N TYR A 74 2.524 3.667 -7.963 1.00 0.00 N ATOM 1161 CA TYR A 74 3.060 2.779 -6.937 1.00 0.00 C ATOM 1162 C TYR A 74 2.409 1.398 -6.982 1.00 0.00 C ATOM 1163 O TYR A 74 2.741 0.538 -6.164 1.00 0.00 O ATOM 1164 CB TYR A 74 2.838 3.411 -5.559 1.00 0.00 C ATOM 1165 CG TYR A 74 3.687 4.638 -5.309 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.088 4.515 -5.270 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.092 5.901 -5.141 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.893 5.662 -5.200 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.902 7.039 -4.997 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.296 6.929 -5.106 1.00 0.00 C ATOM 1171 OH TYR A 74 6.055 8.057 -5.198 1.00 0.00 O ATOM 0 H TYR A 74 1.645 4.108 -7.692 1.00 0.00 H new ATOM 0 HA TYR A 74 4.125 2.646 -7.126 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.787 3.681 -5.458 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.052 2.669 -4.790 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.544 3.536 -5.294 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.016 5.995 -5.123 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.969 5.570 -5.218 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.451 8.001 -4.802 1.00 0.00 H new ATOM 0 HH TYR A 74 5.950 8.589 -4.382 1.00 0.00 H new ATOM 1181 N ILE A 75 1.452 1.184 -7.891 1.00 0.00 N ATOM 1182 CA ILE A 75 0.719 -0.065 -7.961 1.00 0.00 C ATOM 1183 C ILE A 75 1.684 -1.154 -8.371 1.00 0.00 C ATOM 1184 O ILE A 75 2.367 -1.046 -9.387 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.515 0.050 -8.869 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.678 -0.818 -8.349 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.271 -0.298 -10.347 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -3.020 -0.328 -8.904 1.00 0.00 C ATOM 0 H ILE A 75 1.172 1.872 -8.590 1.00 0.00 H new ATOM 0 HA ILE A 75 0.310 -0.324 -6.984 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.769 1.109 -8.829 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.519 -1.857 -8.638 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.699 -0.790 -7.260 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.201 -0.187 -10.905 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.482 0.373 -10.759 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.078 -1.328 -10.426 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.824 -0.958 -8.522 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.188 0.703 -8.593 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.005 -0.381 -9.993 1.00 0.00 H new ATOM 1200 N ILE A 76 1.750 -2.196 -7.555 1.00 0.00 N ATOM 1201 CA ILE A 76 2.565 -3.349 -7.856 1.00 0.00 C ATOM 1202 C ILE A 76 1.686 -4.570 -8.073 1.00 0.00 C ATOM 1203 O ILE A 76 2.221 -5.611 -8.422 1.00 0.00 O ATOM 1204 CB ILE A 76 3.599 -3.556 -6.749 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.884 -3.670 -5.392 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.616 -2.408 -6.766 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.739 -4.352 -4.335 1.00 0.00 C ATOM 0 H ILE A 76 1.241 -2.260 -6.673 1.00 0.00 H new ATOM 0 HA ILE A 76 3.113 -3.185 -8.784 1.00 0.00 H new ATOM 0 HB ILE A 76 4.147 -4.483 -6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.610 -2.674 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.957 -4.229 -5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.350 -2.561 -5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.122 -2.384 -7.731 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.100 -1.462 -6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.185 -4.405 -3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.991 -5.360 -4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.655 -3.780 -4.183 1.00 0.00 H new ATOM 1219 N GLY A 77 0.364 -4.463 -7.891 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.552 -5.546 -8.182 1.00 0.00 C ATOM 1221 C GLY A 77 -1.835 -5.392 -7.373 1.00 0.00 C ATOM 1222 O GLY A 77 -2.192 -4.279 -6.985 1.00 0.00 O ATOM 0 H GLY A 77 -0.089 -3.620 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.785 -5.557 -9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.081 -6.501 -7.950 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.519 -6.505 -7.101 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.715 -6.553 -6.272 1.00 0.00 C ATOM 1228 C GLU A 78 -3.757 -7.892 -5.535 1.00 0.00 C ATOM 1229 O GLU A 78 -2.869 -8.716 -5.723 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.963 -6.280 -7.120 1.00 0.00 C ATOM 1231 CG GLU A 78 -5.334 -7.390 -8.098 1.00 0.00 C ATOM 1232 CD GLU A 78 -6.496 -6.959 -8.985 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -7.634 -6.924 -8.461 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -6.242 -6.670 -10.174 1.00 0.00 O ATOM 0 H GLU A 78 -2.246 -7.419 -7.463 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.691 -5.768 -5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.807 -6.108 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.808 -5.359 -7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.472 -7.641 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.605 -8.291 -7.548 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.751 -8.108 -4.676 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.871 -9.340 -3.909 1.00 0.00 C ATOM 1243 C LEU A 79 -5.159 -10.524 -4.848 1.00 0.00 C ATOM 1244 O LEU A 79 -6.114 -10.448 -5.619 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.985 -9.149 -2.860 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.511 -9.381 -1.427 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -4.956 -10.797 -1.274 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.532 -8.292 -0.968 1.00 0.00 C ATOM 0 H LEU A 79 -5.494 -7.433 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.938 -9.566 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.384 -8.138 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.803 -9.834 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.368 -9.301 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.622 -10.948 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.735 -11.521 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.114 -10.933 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.218 -8.493 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.659 -8.289 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.022 -7.320 -1.013 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.339 -11.592 -4.806 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.426 -12.744 -5.708 1.00 0.00 C ATOM 1262 C HIS A 80 -5.867 -13.239 -5.862 1.00 0.00 C ATOM 1263 O HIS A 80 -6.573 -13.327 -4.858 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.517 -13.878 -5.206 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.019 -14.809 -6.280 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.275 -16.156 -6.395 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.168 -14.471 -7.296 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -2.630 -16.601 -7.487 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -1.948 -15.606 -8.076 1.00 0.00 N ATOM 0 H HIS A 80 -3.583 -11.674 -4.127 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.086 -12.422 -6.692 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.658 -13.439 -4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.062 -14.461 -4.464 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.740 -13.494 -7.465 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.657 -17.621 -7.842 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.383 -15.668 -8.923 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.321 -13.601 -7.080 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.715 -13.943 -7.293 1.00 0.00 C ATOM 1279 C PRO A 81 -8.116 -15.175 -6.469 1.00 0.00 C ATOM 1280 O PRO A 81 -9.277 -15.293 -6.069 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.907 -14.098 -8.803 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.506 -14.244 -9.395 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.534 -13.884 -8.271 1.00 0.00 C ATOM 0 HA PRO A 81 -8.387 -13.161 -6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.519 -14.971 -9.031 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.419 -13.232 -9.222 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.335 -15.261 -9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.374 -13.583 -10.252 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.842 -14.706 -8.086 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.933 -13.017 -8.548 1.00 0.00 H new